2,2,2-trifluoroacetic acid
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 116.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 126.40 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 64.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 98.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.81 | J mol-1 K-1 |
| Rotational | 114.31 | J mol-1 K-1 |
| Vibrational | 67.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 349.49 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1011.18 | kJ mol-1 |
Molecular Orbitals
- 1 -707.41 eV View
- 2 -707.37 eV View
- 3 -707.36 eV View
- 4 -553.56 eV View
- 5 -552.59 eV View
- 6 -307.71 eV View
- 7 -305.13 eV View
- 8 -44.58 eV View
- 9 -41.72 eV View
- 10 -41.61 eV View
- 11 -38.75 eV View
- 12 -35.84 eV View
- 13 -25.25 eV View
- 14 -21.14 eV View
- 15 -20.38 eV View
- 16 -18.78 eV View
- 17 -18.70 eV View
- 18 -15.68 eV View
- 19 -15.61 eV View
- 20 -15.11 eV View
- 21 -14.61 eV View
- 22 -14.54 eV View
- 23 -13.74 eV View
- 24 -13.26 eV View
- 25 -13.26 eV View
- 26 -12.93 eV View
- 27 -10.33 eV View
- 28 -9.79 eV View
- 29 7.16 eV View
- 30 13.28 eV View
- 31 13.90 eV View
- 32 16.01 eV View
- 33 16.03 eV View
- 34 17.86 eV View
- 35 21.63 eV View
- 36 26.35 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |